SCHEMBL6571313

SCHEMBL6571313

COCCN(CCOC)c1ccc(N)c(-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.38
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
EPHB4 P54760 2/20 0.35
CRHR1 P34998 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM3 P20309 7/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
UTS2R Q9UKP6 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6571876 0.90 CYP3A4 (0.40) CRHR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6574728 0.87 KMT2A (0.41) CRHR1MEN1KMT2ACYP3A4
SCHEMBL6572811 0.84 CRHR1 (0.37) CRHR1MEN1KMT2ACYP3A4
SCHEMBL6572957 0.84 DYRK1A (0.41) FYNCRHR1MEN1KMT2ACYP3A4
SCHEMBL6572500 0.84 MAPT (0.40) FYNCRHR1MEN1KMT2A
SCHEMBL6573254 0.83 KMT2A (0.45) FYNPTGS2PTGS1EPHB4MEN1
SCHEMBL6570799 0.83 GRM2 (0.38)
SCHEMBL6571429 0.81 ALDH1A1 (0.36) MEN1KMT2ACYP3A4
SCHEMBL6572008 0.80 MAPT (0.35) CRHR1CYP3A4CYP2D6
SCHEMBL6570859 0.80 S100B (0.37) PTGS2PTGS1CRHR1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed